(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone

C14H15ClN2O2 — CID 114963832

IUPAC(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C14H15ClN2O2/c1-3-6-17-9-10(8-16-17)14(18)12-7-11(15)4-5-13(12)19-2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyMCFLNCKTPKLNJP-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.19
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone

(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone (PubChem CID 114963832) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
PubChem CID114963832
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C14H15ClN2O2/c1-3-6-17-9-10(8-16-17)14(18)12-7-11(15)4-5-13(12)19-2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyMCFLNCKTPKLNJP-UHFFFAOYSA-N
XLogP3.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone
CID 43338022
(2-bromo-4-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963862
(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810197
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963861
(1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 114964370
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
CID 114213437
(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 81274285
(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 114964376

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone (CID 114963832) is (5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)c2cc(Cl)ccc2OC)cn1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone?
The InChIKey is MCFLNCKTPKLNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-3-6-17-9-10(8-16-17)14(18)12-7-11(15)4-5-13(12)19-2/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone?
(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone has a molecular weight of 278.74 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 114963832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).